N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide

C50H32F6N2O3 — CID 87301911

IUPACN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
SMILESO=C(c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)N(c1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C50H32F6N2O3/c51-49(52,53)36-13-1-8-31(22-36)24-40-28-44-42(17-5-19-46(44)60-40)33-10-3-12-35(26-33)48(59)58(39-16-7-21-57-30-39)38-15-4-11-34(27-38)43-18-6-20-47-45(43)29-41(61-47)25-32-9-2-14-37(23-32)50(54,55)56/h1-23,26-30H,24-25H2
InChIKeyMHQYUSXCVBKBGZ-UHFFFAOYSA-N
MW822.81 g/mol
LogP14.11
Rot. Bonds9

About N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide

N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide (PubChem CID 87301911) has the molecular formula C50H32F6N2O3 and a molecular weight of 822.81 g/mol. Its IUPAC name is N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
PubChem CID87301911
Molecular FormulaC50H32F6N2O3
Molecular Weight822.81 g/mol
Exact Mass822.23
IUPAC NameN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
SMILESO=C(c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)N(c1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C50H32F6N2O3/c51-49(52,53)36-13-1-8-31(22-36)24-40-28-44-42(17-5-19-46(44)60-40)33-10-3-12-35(26-33)48(59)58(39-16-7-21-57-30-39)38-15-4-11-34(27-38)43-18-6-20-47-45(43)29-41(61-47)25-32-9-2-14-37(23-32)50(54,55)56/h1-23,26-30H,24-25H2
InChIKeyMHQYUSXCVBKBGZ-UHFFFAOYSA-N
XLogP14.11
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.81
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The IUPAC name of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide (CID 87301911) is N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide.
What is the SMILES notation for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The canonical SMILES for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide is O=C(c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)N(c1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The InChIKey is MHQYUSXCVBKBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F6N2O3/c51-49(52,53)36-13-1-8-31(22-36)24-40-28-44-42(17-5-19-46(44)60-40)33-10-3-12-35(26-33)48(59)58(39-16-7-21-57-30-39)38-15-4-11-34(27-38)43-18-6-20-47-45(43)29-41(61-47)25-32-9-2-14-37(23-32)50(54,55)56/h1-23,26-30H,24-25H2.
What are the key properties of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide has a molecular weight of 822.81 g/mol, XLogP of 14.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide is sourced from PubChem (CID 87301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).